3-chloro-N-ethyl-N-(2-ethylbutyl)-5-(methylaminomethyl)pyridin-2-amine

C15H26ClN3 — CID 62293550

IUPAC3-chloro-N-ethyl-N-(2-ethylbutyl)-5-(methylaminomethyl)pyridin-2-amine
SMILESCCC(CC)CN(CC)c1ncc(CNC)cc1Cl
InChIInChI=1S/C15H26ClN3/c1-5-12(6-2)11-19(7-3)15-14(16)8-13(9-17-4)10-18-15/h8,10,12,17H,5-7,9,11H2,1-4H3
InChIKeyYFMIVYMQYOMZOX-UHFFFAOYSA-N
MW283.85 g/mol
LogP3.72
Rot. Bonds8

About 3-chloro-N-ethyl-N-(2-ethylbutyl)-5-(methylaminomethyl)pyridin-2-amine

3-chloro-N-ethyl-N-(2-ethylbutyl)-5-(methylaminomethyl)pyridin-2-amine (PubChem CID 62293550) has the molecular formula C15H26ClN3 and a molecular weight of 283.85 g/mol. Its IUPAC name is 3-chloro-N-ethyl-N-(2-ethylbutyl)-5-(methylaminomethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-ethyl-N-(2-ethylbutyl)-5-(methylaminomethyl)pyridin-2-amine
PubChem CID62293550
Molecular FormulaC15H26ClN3
Molecular Weight283.85 g/mol
Exact Mass283.18
IUPAC Name3-chloro-N-ethyl-N-(2-ethylbutyl)-5-(methylaminomethyl)pyridin-2-amine
SMILESCCC(CC)CN(CC)c1ncc(CNC)cc1Cl
InChIInChI=1S/C15H26ClN3/c1-5-12(6-2)11-19(7-3)15-14(16)8-13(9-17-4)10-18-15/h8,10,12,17H,5-7,9,11H2,1-4H3
InChIKeyYFMIVYMQYOMZOX-UHFFFAOYSA-N
XLogP3.72
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.85
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-ethyl-5-(ethylaminomethyl)-N-(2-methylpropyl)pyridin-2-amine
CID 62279192
N-ethyl-N-(2-ethylbutyl)-5-(methylaminomethyl)pyrimidin-4-amine
CID 114216105
N'-[3-chloro-5-(methylaminomethyl)-2-pyridinyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 55059364
N-ethyl-N-(2-ethylbutyl)-3-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 80632647
N-butyl-3-chloro-N-methyl-5-(methylaminomethyl)pyridin-2-amine
CID 62285991
3-chloro-N-ethyl-5-(ethylaminomethyl)-N-propylpyridin-2-amine
CID 55054577
3-chloro-N,N-bis(2-methylpropyl)-5-(propylaminomethyl)pyridin-2-amine
CID 63490143
5-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-3-methylpyridin-2-amine
CID 80629781
3-chloro-N-ethyl-5-(ethylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 62281431
3-chloro-N-ethyl-5-(ethylaminomethyl)-N-(2-methoxyethyl)pyridin-2-amine
CID 62295498
3-chloro-N-cyclopropyl-5-(methylaminomethyl)-N-propylpyridin-2-amine
CID 62279711
3-chloro-5-(ethylaminomethyl)-N,N-dipropylpyridin-2-amine
CID 62284271

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-ethyl-N-(2-ethylbutyl)-5-(methylaminomethyl)pyridin-2-amine?
The IUPAC name of 3-chloro-N-ethyl-N-(2-ethylbutyl)-5-(methylaminomethyl)pyridin-2-amine (CID 62293550) is 3-chloro-N-ethyl-N-(2-ethylbutyl)-5-(methylaminomethyl)pyridin-2-amine.
What is the SMILES notation for 3-chloro-N-ethyl-N-(2-ethylbutyl)-5-(methylaminomethyl)pyridin-2-amine?
The canonical SMILES for 3-chloro-N-ethyl-N-(2-ethylbutyl)-5-(methylaminomethyl)pyridin-2-amine is CCC(CC)CN(CC)c1ncc(CNC)cc1Cl.
What is the InChIKey of 3-chloro-N-ethyl-N-(2-ethylbutyl)-5-(methylaminomethyl)pyridin-2-amine?
The InChIKey is YFMIVYMQYOMZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26ClN3/c1-5-12(6-2)11-19(7-3)15-14(16)8-13(9-17-4)10-18-15/h8,10,12,17H,5-7,9,11H2,1-4H3.
What are the key properties of 3-chloro-N-ethyl-N-(2-ethylbutyl)-5-(methylaminomethyl)pyridin-2-amine?
3-chloro-N-ethyl-N-(2-ethylbutyl)-5-(methylaminomethyl)pyridin-2-amine has a molecular weight of 283.85 g/mol, XLogP of 3.72, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-ethyl-N-(2-ethylbutyl)-5-(methylaminomethyl)pyridin-2-amine is sourced from PubChem (CID 62293550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).